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1,4-Dichloro-2,5-Dimethoxybenzene
CAS: 2675-77-6 | C8H8Cl2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2675-77-6
Molecular Formula:
C8H8Cl2O2
Molecular Mass:
207.06 g/mol
Names and Synonyms:
1,4-Dichloro-2,5-Dimethoxybenzene
Benzene, 1,4-dichloro-2,5-dimethoxy-
1,4-Dichloro-2,5-dimethoxybenzene
Soil Fungicide 1823
Chloroneb
Demosan 65W
Demosan
2,5-Dichloro-1,4-dimethoxybenzene
FloPro D
NSC 151546
Identifiers:
SMILES:
COc1cc(Cl)c(OC)cc1Cl
InChI:
InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
Key Properties
Boiling Point
268 °C
CAS Common Chemistry
Melting Point
133-135 °C
CAS Common Chemistry
Density
1.66 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.06 g/mol | CAS Common Chemistry |
| 207.056 g/mol | RDKit | |
| 205.990134856 g/mol | RDKit | |
| Density | 1.66 g/cm³ | CAS Common Chemistry |
| 1.66 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 268 °C | CAS Common Chemistry |
| Canonical SMILES | ClC=1C=C(OC)C(Cl)=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PFIADAMVCJPXSF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133-135 °C | CAS Common Chemistry |
| Name | 1,4-Dichloro-2,5-dimethoxybenzene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.010600000000002 | RDKit |
| Molar Refractivity | 49.566000000000024 | RDKit |
